CID 115881

63938-12-5

Structural Information

Molecular Formula
C8H7Cl3O3
SMILES
C1=COC(=C1)C(=O)OC(CCl)(CCl)Cl
InChI
InChI=1S/C8H7Cl3O3/c9-4-8(11,5-10)14-7(12)6-2-1-3-13-6/h1-3H,4-5H2
InChIKey
ZQXXYHHJBRXGRQ-UHFFFAOYSA-N
Compound name
1,2,3-trichloropropan-2-yl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94608 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95336 151.0
[M+Na]+ 278.93530 160.0
[M-H]- 254.93880 153.7
[M+NH4]+ 273.97990 169.4
[M+K]+ 294.90924 156.4
[M+H-H2O]+ 238.94334 147.8
[M+HCOO]- 300.94428 158.5
[M+CH3COO]- 314.95993 188.1
[M+Na-2H]- 276.92075 155.3
[M]+ 255.94553 156.7
[M]- 255.94663 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.